New Bioactive Co(II) and Ni(II) Complexes with Ofloxacin Mixed-Ligand

Abstract

Four mixed-ligand metal(II) complexes with the molecular formulae [M(ofl)(bipy)]NO3�H2O and [M(ofl)(phen)]NO3�H2O were synthesized by the reaction of Co(II) and Ni(II) with ofloxacin (Hofl) in the presence of 1,10-phenanthroline (phen) / 2,2`-bipyridine (bipy) (1:1:1 molar ratio). The data obtained from elemental analysis, molar conductance, spectral infrared, reflectance spectra and magnetic studies gave information about the coordination of the ligands and the geometry of the metallic ion. The results suggest that Hofl is deprotonated and bidentately bound to the metal ion through the pyridone oxygen and the carboxylato oxygen while phen and bipy act as neutral bidentate ligands coordinated through the nitrogen atoms. Tetrahedral geometry is proposed for all complexes. Thermal analysis data led to useful information concerning the composition, dehydration and thermal behaviour of the complexes. Ofloxacin and the metal complexes were tested for antibacterial activity and also for antioxidant activity. The variations of physicochemical parameters were monitored, which explain the antibacterial behaviour of these compounds. The interactions between metal complexes and bacterial receptors have lower energy values compared to the ofloxacin ligand. The molecular docking studies allow the identification of the biological target and the predictions of the bonds between the studied compounds and the receptors of E. coli (3t88), S. aureus (3q8u) and P. aeruginosa (4lkd).

Bisphosphonates-Pda: Correlation Between Structure and Physicochemical Properties

“…This may yield new probable binding conformations between the bioactive compounds and the biological active target on the receptor. Furthermore, understanding the structure generates new information that helps comprehend how the physiological response is obtained [14].…”

Plga-Bisphosphonates Conjugated Nanoparticles: Synthesis and Morphological Characterization

“…The characterization of the binding behaviour of bisphosphonates to PDA plays an important role in elucidating the fundamental biochemical processes in which these compounds participate. Currently, the results reported in the specialized literature [8,21] have indicated that the approach of ligand-biological receptor binding design (molecular docking studies and structure-activity/property correlation techniques) allows the exploration of probable binding conformations of biologically active compounds at the sites of the target protein. Furthermore, it provides useful information in understanding their structural and physico-chemical characteristics and, implicitly, in understanding their therapeutic effect.…”